(3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine

C13H27N3 — CID 176841895

IUPAC(3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine
SMILESCC(C)(C)N[C@@H]1CCCN(CC2CNC2)C1
InChIInChI=1S/C13H27N3/c1-13(2,3)15-12-5-4-6-16(10-12)9-11-7-14-8-11/h11-12,14-15H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyYAVOHNODPKPQDL-GFCCVEGCSA-N
MW225.38 g/mol
LogP1.06
Rot. Bonds3

About (3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine

(3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine (PubChem CID 176841895) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is (3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine
PubChem CID176841895
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name(3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine
SMILESCC(C)(C)N[C@@H]1CCCN(CC2CNC2)C1
InChIInChI=1S/C13H27N3/c1-13(2,3)15-12-5-4-6-16(10-12)9-11-7-14-8-11/h11-12,14-15H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyYAVOHNODPKPQDL-GFCCVEGCSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine
CID 176842019
N-tert-butyl-1-(cyclopropylmethyl)piperidin-4-amine
CID 58365059
2-[6-[[(3R)-1-(azetidin-3-ylmethyl)piperidin-3-yl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 171838046
1-(piperidin-3-ylmethyl)-3-propan-2-ylpiperidine
CID 120848696
(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine
CID 166507837
(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86323532
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
N-tert-butyl-1-methylpyrrolidin-3-amine;ethane
CID 167501392
3-[(3-methylpiperidin-1-yl)methyl]azepane
CID 112546585
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
(3S)-3-(tert-butylamino)piperidine-1-carboxylic acid
CID 67020499
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine
CID 62370892

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine?
The IUPAC name of (3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine (CID 176841895) is (3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine?
The canonical SMILES for (3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine is CC(C)(C)N[C@@H]1CCCN(CC2CNC2)C1.
What is the InChIKey of (3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine?
The InChIKey is YAVOHNODPKPQDL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(2,3)15-12-5-4-6-16(10-12)9-11-7-14-8-11/h11-12,14-15H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine?
(3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine has a molecular weight of 225.38 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(azetidin-3-ylmethyl)-N-tert-butylpiperidin-3-amine is sourced from PubChem (CID 176841895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).